N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide

C16H23NO2 — CID 11821384

IUPACN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCC[C@@H]1CCc2ccc(OC)cc21
InChIInChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyXLQWMAYNSQHNTQ-ZDUSSCGKSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds6

About N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide (PubChem CID 11821384) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide
PubChem CID11821384
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCC[C@@H]1CCc2ccc(OC)cc21
InChIInChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyXLQWMAYNSQHNTQ-ZDUSSCGKSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide?
The IUPAC name of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide (CID 11821384) is N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide is CCCC(=O)NCC[C@@H]1CCc2ccc(OC)cc21.
What is the InChIKey of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide?
The InChIKey is XLQWMAYNSQHNTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide?
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]butanamide is sourced from PubChem (CID 11821384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).